REMARK  Name = BDB030605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.560  -0.824   1.212  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        2.880  -0.078   2.133  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        1.536  -0.243   1.844  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        1.410  -1.094   0.755  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1        2.634  -1.418   0.404  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.435   0.389   2.594  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1       -0.872   0.162   2.190  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1       -1.310  -0.688   1.089  0.00  0.00    +0.112 C 
ATOM      9  C   LIG    1       -2.800  -0.553   1.081  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.466   0.779   0.805  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -3.200   0.316   2.222  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -1.969   0.734   2.955  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1        0.678   1.109   3.565  0.00  0.00    -0.268 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.841   0.816   0.293  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1       -5.196   0.251  -1.024  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1       -6.565   0.893  -1.167  0.00  0.00    +0.138 C 
ATOM     17  C   LIG    1       -6.519   2.193  -1.973  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1       -7.586  -0.071  -1.762  0.00  0.00    +0.058 C 
ATOM     19  O   LIG    1       -6.971   1.207   0.181  0.00  0.00    -0.387 OA
ATOM     20  N   LIG    1       -5.804   1.337   0.975  0.00  0.00    -0.093 NA
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  22
ATOM     21  C   LIG    1        5.443  -2.371   1.582  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        5.015  -0.970   1.134  0.00  0.00    +0.115 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.525  -0.521  -0.231  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        5.555   0.855  -0.526  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        6.001   1.317  -1.768  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        6.424   0.410  -2.741  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        6.397  -0.960  -2.465  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        5.949  -1.421  -1.222  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.881   0.879  -4.016  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1        7.253   1.256  -5.049  0.00  0.00    -0.191 NA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5